Chapter 7 – Selection of a simulation method

This chapter describes the fundamental concepts and principles underlying relevant simulation methods. It focuses on the description of individual techniques and examples of particular methods applicable to deposition and aggregation in colloidal dispersions. Widely used computer simulation methods include the Monte Carlo method (MC), molecular dynamics method (MD), and Brownian dynamics method (BD). The MC method is easier to implement, but can only provide information on systems in their equilibrium state. The MD method, on the other hand, is more complex, but capable of simulating nonequilibrium as well as equilibrium systems. Both methods are accurate in the sense that no simplifying assumptions are required to be made in their formulation. In contrast, the BD method is only an approximate realization of, for example, Newton's equation of motion. However, in some cases, it may be the only feasible option.

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